Chemical Properties of Dodecanoic acid, 2-phenylethyl ester (CAS 6309-54-2)

InChI

InChI=1S/C20H32O2/c1-2-3-4-5-6-7-8-9-13-16-20(21)22-18-17-19-14-11-10-12-15-19/h10-12,14-15H,2-9,13,16-18H2,1H3

InChI Key

WAKJZNSYKIRWFX-UHFFFAOYSA-N

Formula

C20H32O2

SMILES

CCCCCCCCCCCC(=O)OCCc1ccccc1

Molecular Weight¹

304.47

CAS

6309-54-2

Other Names

• 2-Phenylethyl dodecanoate
• 2-Phenylethyl laurate

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.9047		Relay (1.0) Calculated Property
ΔfG°	-80.44	kJ/mol	Joback Calculated Property
ΔfH°gas	-525.31	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	45.97	kJ/mol	Joback Calculated Property
ΔvapH°	100.53	kJ/mol	Relay (1.0) Calculated Property
IE	8.83	eV	Relay (1.0) Calculated Property
log10WS	-6.01		Relay (1.0) Calculated Property
logPoct/wat	5.693		Crippen Calculated Property
McVol	276.340	ml/mol	McGowan Calculated Property
Pc	1273.69	kPa	Joback Calculated Property
Inp	[2264.20; 2264.20]
Inp	2264.20		NIST
Inp	2264.20		NIST
Tboil	622.75	K	Relay (1.0) Calculated Property
Tc	821.91	K	Relay (1.0) Calculated Property
Tfus	278.15	K	Relay (1.0) Calculated Property
Vc	1.051	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[818.44; 913.96]	J/mol×K	[742.10; 930.29]
Cp,gas	818.44	J/mol×K	742.10	Joback Calculated Property
Cp,gas	836.94	J/mol×K	773.47	Joback Calculated Property
Cp,gas	854.35	J/mol×K	804.83	Joback Calculated Property
Cp,gas	870.73	J/mol×K	836.20	Joback Calculated Property
Cp,gas	886.10	J/mol×K	867.56	Joback Calculated Property
Cp,gas	900.50	J/mol×K	898.93	Joback Calculated Property
Cp,gas	913.96	J/mol×K	930.29	Joback Calculated Property
η	[0.0000658; 0.0017673]	Pa×s	[383.91; 742.10]
η	0.0017673	Pa×s	383.91	Joback Calculated Property
η	0.0007062	Pa×s	443.61	Joback Calculated Property
η	0.0003508	Pa×s	503.31	Joback Calculated Property
η	0.0002021	Pa×s	563.00	Joback Calculated Property
η	0.0001295	Pa×s	622.70	Joback Calculated Property
η	0.0000896	Pa×s	682.40	Joback Calculated Property
η	0.0000658	Pa×s	742.10	Joback Calculated Property

Similar Compounds

Find more compounds similar to Dodecanoic acid, 2-phenylethyl ester.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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